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physics.chem-ph2023★ 132 cited
DPA-2: a large atomic model as a multi-task learner
Duo Zhang, Xinzijian Liu, Xiangyu Zhang +40
The rapid advancements in artificial intelligence (AI) are catalyzing transformative changes in atomic modeling, simulation, and design. AI-driven potential energy models have demo…
physics.chem-ph2020★ 4 cited
Isotope effects on molecular structures and electronic properties of liquid water via deep potential molecular dynamics based on SCAN functional
Jianhang Xu, Chunyi Zhang, Linfeng Zhang +3
Feynman path-integral deep potential molecular dynamics (PI-DPMD) calculations have been employed to study both light (HO) and heavy water (DO) within the isothermal-isobar…